ethyl 4-(1,3-benzodioxol-5-ylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC3=C(C=C2)OCO3)N4C(=CC(=N4)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC3=C(C=C2)OCO3)N4C(=CC(=N4)C)C

InChI

InChI=1S/C19H19N5O4/c1-4-26-18(25)14-9-20-19(24-12(3)7-11(2)23-24)22-17(14)21-13-5-6-15-16(8-13)28-10-27-15/h5-9H,4,10H2,1-3H3,(H,20,21,22)